N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine

C15H17N5 — CID 11747563

IUPACN-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
SMILESCNc1nc(CCCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C15H17N5/c1-16-14-13-15(18-10-17-13)20-12(19-14)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyBMJCWUYLQRKHDU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.57
Rot. Bonds5

About N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine

N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine (PubChem CID 11747563) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
PubChem CID11747563
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
SMILESCNc1nc(CCCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C15H17N5/c1-16-14-13-15(18-10-17-13)20-12(19-14)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyBMJCWUYLQRKHDU-UHFFFAOYSA-N
XLogP2.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
N-methyl-2-(methylaminomethyl)-7H-purin-6-amine
CID 59881619
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
2-benzyl-N-tert-butyl-7H-purin-6-amine
CID 23106936
N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
CID 114787552
2-[6-(benzylamino)-7H-purin-2-yl]ethanol
CID 141447659
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 154249196
2-benzyl-7H-purin-6-amine
CID 15986830
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66306895
6-N,6-N-dibenzyl-2-N-(4-butylphenyl)-7H-purine-2,6-diamine
CID 118420609
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine?
The IUPAC name of N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine (CID 11747563) is N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine.
What is the SMILES notation for N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine?
The canonical SMILES for N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine is CNc1nc(CCCc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine?
The InChIKey is BMJCWUYLQRKHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-16-14-13-15(18-10-17-13)20-12(19-14)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine?
N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine is sourced from PubChem (CID 11747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).